ethyl 2-(methoxyamino)acetate

C5H11NO3 — CID 60702616

IUPACethyl 2-(methoxyamino)acetate
SMILESCCOC(=O)CNOC
InChIInChI=1S/C5H11NO3/c1-3-9-5(7)4-6-8-2/h6H,3-4H2,1-2H3
InChIKeyWCKCUGUUSSTDCY-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.30
Rot. Bonds4

About ethyl 2-(methoxyamino)acetate

ethyl 2-(methoxyamino)acetate (PubChem CID 60702616) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is ethyl 2-(methoxyamino)acetate.

Molecular Properties

Compound Nameethyl 2-(methoxyamino)acetate
PubChem CID60702616
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameethyl 2-(methoxyamino)acetate
SMILESCCOC(=O)CNOC
InChIInChI=1S/C5H11NO3/c1-3-9-5(7)4-6-8-2/h6H,3-4H2,1-2H3
InChIKeyWCKCUGUUSSTDCY-UHFFFAOYSA-N
XLogP-0.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Glycine ethyl ester
CID 12176
Glycine ethyl ester, hydrochloride
CID 2723640
Ethyl aminoacetate hydrochloride
CID 12175
2-aminoethyl Acetate
CID 112720
Propyl aminoacetate hydrochloride
CID 2759254
Butyl glycinate
CID 76155
Propyl glycinate
CID 2759255
(2-Ethoxy-2-oxoethyl)azanium
CID 3830239
(2-Oxo-2-propoxyethyl)azanium chloride
CID 3084132
ethyl 2-(N-hydroxyamino)acetate hydrochloride
CID 12760686
(2-Ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate
CID 134894517
Methyl 2-(hydroxyamino)acetate
CID 10125051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxyamino)acetate?
The IUPAC name of ethyl 2-(methoxyamino)acetate (CID 60702616) is ethyl 2-(methoxyamino)acetate.
What is the SMILES notation for ethyl 2-(methoxyamino)acetate?
The canonical SMILES for ethyl 2-(methoxyamino)acetate is CCOC(=O)CNOC.
What is the InChIKey of ethyl 2-(methoxyamino)acetate?
The InChIKey is WCKCUGUUSSTDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3-9-5(7)4-6-8-2/h6H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(methoxyamino)acetate?
ethyl 2-(methoxyamino)acetate has a molecular weight of 133.15 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxyamino)acetate is sourced from PubChem (CID 60702616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).